12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine

C60H37FN2O2 — CID 118359889

IUPAC12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine
SMILESFc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1cc2c3c(ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc(c5c43)O2)c1
InChIInChI=1S/C60H37FN2O2/c61-59-49(39-18-7-2-8-19-39)35-42(38-16-5-1-6-17-38)36-52(59)62(43-20-9-3-10-21-43)45-34-41-29-28-40-30-31-48-50(32-33-54-58(48)57(40)56(41)55(37-45)64-54)63(44-22-11-4-12-23-44)51-26-15-25-47-46-24-13-14-27-53(46)65-60(47)51/h1-37H
InChIKeyRSXZQFFEXMXPBT-UHFFFAOYSA-N
MW836.97 g/mol
LogP17.56
Rot. Bonds8

About 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine

12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine (PubChem CID 118359889) has the molecular formula C60H37FN2O2 and a molecular weight of 836.97 g/mol. Its IUPAC name is 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine.

Molecular Properties

Compound Name12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine
PubChem CID118359889
Molecular FormulaC60H37FN2O2
Molecular Weight836.97 g/mol
Exact Mass836.28
IUPAC Name12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine
SMILESFc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1cc2c3c(ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc(c5c43)O2)c1
InChIInChI=1S/C60H37FN2O2/c61-59-49(39-18-7-2-8-19-39)35-42(38-16-5-1-6-17-38)36-52(59)62(43-20-9-3-10-21-43)45-34-41-29-28-40-30-31-48-50(32-33-54-58(48)57(40)56(41)55(37-45)64-54)63(44-22-11-4-12-23-44)51-26-15-25-47-46-24-13-14-27-53(46)65-60(47)51/h1-37H
InChIKeyRSXZQFFEXMXPBT-UHFFFAOYSA-N
XLogP17.56
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.97
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine with MolForge

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Related Compounds

13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 158536422
3-N,10-N-di(dibenzofuran-4-yl)-10-N-phenyl-3-N-(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359848
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
1-N-dibenzofuran-4-yl-6-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-1-N-(2-fluoro-4,6-diphenylphenyl)-6-N-phenylpyrene-1,6-diamine
CID 118547512
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
6-N-dibenzofuran-4-yl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N-dibenzofuran-4-yl-6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-6-N-phenyl-1-N-(2-phenylphenyl)pyrene-1,6-diamine;6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenyl-1-N-(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158167430
5-N-dibenzofuran-4-yl-5-N,14-N,14-N-triphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 122473491
N-dibenzofuran-4-yl-N,1-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131148
12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855706
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891

Frequently Asked Questions

What is the IUPAC name of 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine?
The IUPAC name of 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine (CID 118359889) is 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine.
What is the SMILES notation for 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine?
The canonical SMILES for 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine is Fc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1cc2c3c(ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc(c5c43)O2)c1.
What is the InChIKey of 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine?
The InChIKey is RSXZQFFEXMXPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37FN2O2/c61-59-49(39-18-7-2-8-19-39)35-42(38-16-5-1-6-17-38)36-52(59)62(43-20-9-3-10-21-43)45-34-41-29-28-40-30-31-48-50(32-33-54-58(48)57(40)56(41)55(37-45)64-54)63(44-22-11-4-12-23-44)51-26-15-25-47-46-24-13-14-27-53(46)65-60(47)51/h1-37H.
What are the key properties of 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine?
12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine has a molecular weight of 836.97 g/mol, XLogP of 17.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine is sourced from PubChem (CID 118359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).